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SMILES: ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1

InChI Key: InChIKey=TZCXUSWHXSLZNB-HSZRJFAPSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50441214   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 825n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 9.52E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair